data_15498 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 13C and 15N resonance assignments for the E2 conjugating enzyme, UbcH7 ; _BMRB_accession_number 15498 _BMRB_flat_file_name bmr15498.str _Entry_type original _Submission_date 2007-09-27 _Accession_date 2007-09-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serniwka Stephanie A. . 2 Shaw Gary S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 594 "13C chemical shifts" 602 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-12 update BMRB 'added PubMed ID' 2008-06-04 update BMRB 'complete entry citation' 2008-01-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments for the human E2 conjugating enzyme, UbcH7' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636915 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serniwka Stephanie A. . 2 Shaw Gary S. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 21 _Page_last 23 _Year 2008 _Details . loop_ _Keyword 'E2 conjugating enzyme' 'resonance assignment' UbcH7 'ubiquitin conjugation pathway' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UbcH7 _Enzyme_commission_number 6.3.2.19 loop_ _Mol_system_component_name _Mol_label UbcH7 $UbcH7 stop_ _System_molecular_weight 18685 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'E2 ubiquitin conjugating enzyme' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UbcH7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UbcH7 _Molecular_mass 18684 _Mol_thiol_state 'all free' loop_ _Biological_function 'E2 ubiquitin conjugating enzyme' stop_ _Details '13C, 15N labeled' ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; AASRRLMKELEEIRKSGMKN FRNIQVDEANLLTWQGLIVP DNPPYDKGAFRIEINFPAEY PFKPPKITFKTKIYHPNIDE KGQVCLPVISAENWKPATKT DQVIQSLIALVNDPQPEHPL RADLAEEYSKDRKKFSKNAE EFTKKYGEKRPVD ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ALA 3 SER 4 ARG 5 ARG 6 LEU 7 MET 8 LYS 9 GLU 10 LEU 11 GLU 12 GLU 13 ILE 14 ARG 15 LYS 16 SER 17 GLY 18 MET 19 LYS 20 ASN 21 PHE 22 ARG 23 ASN 24 ILE 25 GLN 26 VAL 27 ASP 28 GLU 29 ALA 30 ASN 31 LEU 32 LEU 33 THR 34 TRP 35 GLN 36 GLY 37 LEU 38 ILE 39 VAL 40 PRO 41 ASP 42 ASN 43 PRO 44 PRO 45 TYR 46 ASP 47 LYS 48 GLY 49 ALA 50 PHE 51 ARG 52 ILE 53 GLU 54 ILE 55 ASN 56 PHE 57 PRO 58 ALA 59 GLU 60 TYR 61 PRO 62 PHE 63 LYS 64 PRO 65 PRO 66 LYS 67 ILE 68 THR 69 PHE 70 LYS 71 THR 72 LYS 73 ILE 74 TYR 75 HIS 76 PRO 77 ASN 78 ILE 79 ASP 80 GLU 81 LYS 82 GLY 83 GLN 84 VAL 85 CYS 86 LEU 87 PRO 88 VAL 89 ILE 90 SER 91 ALA 92 GLU 93 ASN 94 TRP 95 LYS 96 PRO 97 ALA 98 THR 99 LYS 100 THR 101 ASP 102 GLN 103 VAL 104 ILE 105 GLN 106 SER 107 LEU 108 ILE 109 ALA 110 LEU 111 VAL 112 ASN 113 ASP 114 PRO 115 GLN 116 PRO 117 GLU 118 HIS 119 PRO 120 LEU 121 ARG 122 ALA 123 ASP 124 LEU 125 ALA 126 GLU 127 GLU 128 TYR 129 SER 130 LYS 131 ASP 132 ARG 133 LYS 134 LYS 135 PHE 136 SER 137 LYS 138 ASN 139 ALA 140 GLU 141 GLU 142 PHE 143 THR 144 LYS 145 LYS 146 TYR 147 GLY 148 GLU 149 LYS 150 ARG 151 PRO 152 VAL 153 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1C4Z "Structure Of E6ap: Insights Into Ubiquitination Pathway" 100.00 154 98.69 98.69 1.22e-105 PDB 1FBV "Structure Of A Cbl-Ubch7 Complex: Ring Domain Function In Ubiquitin-Protein Ligases" 100.00 154 98.69 98.69 1.22e-105 PDB 3SQV "Crystal Structure Of E. Coli O157:h7 E3 Ubiquitin Ligase, Nlel, With A Human E2, Ubch7" 100.00 156 98.69 98.69 1.13e-105 PDB 3SY2 "Crystal Structure Of The Salmonella E3 Ubiquitin Ligase Sopa In Complex With The Human E2 Ubch7" 100.00 156 98.69 98.69 1.13e-105 PDB 4Q5E "Shigella Effector Kinase Ospg Bound To E2-ub Ubch7-ub Conjugate" 100.00 156 100.00 100.00 4.97e-107 PDB 4Q5H "Shigella Effector Kinase Ospg Bound To Amppnp And E2-ub Ubch7-ub Conjugate" 100.00 156 100.00 100.00 4.97e-107 DBJ BAB24925 "unnamed protein product [Mus musculus]" 100.00 154 98.69 98.69 1.22e-105 DBJ BAE38300 "unnamed protein product [Mus musculus]" 100.00 154 98.69 98.69 1.22e-105 DBJ BAE39867 "unnamed protein product [Mus musculus]" 100.00 154 98.04 98.69 5.50e-105 DBJ BAE87197 "unnamed protein product [Macaca fascicularis]" 100.00 154 98.69 98.69 1.22e-105 DBJ BAF83772 "unnamed protein product [Homo sapiens]" 100.00 154 98.04 98.04 1.06e-104 EMBL CAA04156 "ubiquitin-conjugating enzyme UbcH7 [Homo sapiens]" 100.00 154 98.69 98.69 1.22e-105 EMBL CAA10265 "ubiquitin-conjugating enzyme [Mus musculus]" 100.00 154 98.69 98.69 1.22e-105 EMBL CAA63538 "ubiquitin-conjugating enzyme UbcH7 [Homo sapiens]" 100.00 154 98.69 98.69 1.22e-105 EMBL CAA65755 "UbcM4 protein [Mus musculus]" 100.00 154 98.69 98.69 1.22e-105 EMBL CAG30492 "UBE2L3 [Homo sapiens]" 100.00 154 98.69 98.69 1.22e-105 GB AAB36017 "L-UBC [Homo sapiens]" 100.00 154 98.69 98.69 1.22e-105 GB AAG17922 "ubiquitin-conjugating enzyme [Homo sapiens]" 100.00 154 97.39 98.04 6.87e-104 GB AAH53368 "Ubiquitin-conjugating enzyme E2L 3 [Homo sapiens]" 100.00 154 98.69 98.69 1.22e-105 GB AAH77940 "LOC446231 protein, partial [Xenopus laevis]" 100.00 153 99.35 99.35 2.55e-106 GB AAH93503 "Ubiquitin-conjugating enzyme E2L 3 [Mus musculus]" 100.00 154 98.69 98.69 1.22e-105 REF NP_001006180 "ubiquitin-conjugating enzyme E2 L3 [Gallus gallus]" 100.00 154 98.69 98.69 1.22e-105 REF NP_001071562 "ubiquitin-conjugating enzyme E2 L3 [Bos taurus]" 100.00 154 98.69 98.69 1.22e-105 REF NP_001086444 "ubiquitin-conjugating enzyme E2L 3 [Xenopus laevis]" 100.00 154 99.35 99.35 2.50e-106 REF NP_001127614 "ubiquitin-conjugating enzyme E2 L3 [Pongo abelii]" 100.00 154 98.04 98.69 6.34e-105 REF NP_001172062 "ubiquitin-conjugating enzyme E2 L3 [Sus scrofa]" 100.00 154 98.69 98.69 1.22e-105 SP P68036 "RecName: Full=Ubiquitin-conjugating enzyme E2 L3; AltName: Full=E2 ubiquitin-conjugating enzyme L3; AltName: Full=L-UBC; AltNam" 100.00 154 98.69 98.69 1.22e-105 SP P68037 "RecName: Full=Ubiquitin-conjugating enzyme E2 L3; AltName: Full=E2 ubiquitin-conjugating enzyme L3; AltName: Full=UbcM4; AltNam" 100.00 154 98.69 98.69 1.22e-105 SP Q3MHP1 "RecName: Full=Ubiquitin-conjugating enzyme E2 L3; AltName: Full=E2 ubiquitin-conjugating enzyme L3; AltName: Full=Ubiquitin car" 100.00 154 98.69 98.69 1.22e-105 SP Q5R5I4 "RecName: Full=Ubiquitin-conjugating enzyme E2 L3; AltName: Full=E2 ubiquitin-conjugating enzyme L3; AltName: Full=Ubiquitin car" 100.00 154 98.04 98.69 6.34e-105 TPG DAA20415 "TPA: ubiquitin-conjugating enzyme E2 L3 [Bos taurus]" 97.39 150 98.66 98.66 1.11e-102 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $UbcH7 Human 9606 Eukaryota Metazoa Homo sapiens UBE2L3 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $UbcH7 'recombinant technology' . Escherichia coli BL21(DE3)pLysS pET3a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UbcH7 0.5 mM '[U-100% 13C; U-100% 15N]' TRIS 25 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_Sample_Conditions_for_UbcH7 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.01 pH pressure 1 . atm temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Chemical_Shift_Reference_for_UbcH7 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Assigned_Chemical_Shift_List_for_UbcH7 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $Sample_Conditions_for_UbcH7 _Chem_shift_reference_set_label $Chemical_Shift_Reference_for_UbcH7 _Mol_system_component_name UbcH7 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HB H 1.535 0.01 1 2 2 2 ALA C C 177.654 0.2 1 3 2 2 ALA CA C 53.179 0.2 1 4 2 2 ALA CB C 19.609 0.2 1 5 3 3 SER H H 8.371 0.01 1 6 3 3 SER HA H 4.050 0.01 1 7 3 3 SER C C 175.635 0.2 1 8 3 3 SER CA C 60.211 0.2 1 9 3 3 SER CB C 63.232 0.2 1 10 3 3 SER N N 114.618 0.2 1 11 4 4 ARG H H 8.365 0.01 1 12 4 4 ARG HA H 4.154 0.01 1 13 4 4 ARG HB2 H 1.770 0.01 2 14 4 4 ARG HB3 H 1.943 0.01 2 15 4 4 ARG HD2 H 3.285 0.01 2 16 4 4 ARG C C 178.662 0.2 1 17 4 4 ARG CA C 59.073 0.2 1 18 4 4 ARG CB C 29.651 0.2 1 19 4 4 ARG CD C 45.263 0.2 1 20 4 4 ARG CG C 27.437 0.2 1 21 4 4 ARG N N 123.512 0.2 1 22 5 5 ARG H H 8.016 0.01 1 23 5 5 ARG HA H 4.243 0.01 1 24 5 5 ARG HG2 H 1.671 0.01 2 25 5 5 ARG C C 178.162 0.2 1 26 5 5 ARG CA C 58.790 0.2 1 27 5 5 ARG CB C 29.717 0.2 1 28 5 5 ARG N N 120.310 0.2 1 29 6 6 LEU H H 8.216 0.01 1 30 6 6 LEU HA H 4.122 0.01 1 31 6 6 LEU HB2 H 1.450 0.01 2 32 6 6 LEU HB3 H 1.751 0.01 2 33 6 6 LEU HD1 H -0.208 0.01 2 34 6 6 LEU HD2 H 0.209 0.01 2 35 6 6 LEU HG H 1.330 0.01 1 36 6 6 LEU C C 178.760 0.2 1 37 6 6 LEU CA C 58.259 0.2 1 38 6 6 LEU CB C 42.584 0.2 1 39 6 6 LEU CD1 C 22.916 0.2 2 40 6 6 LEU CD2 C 24.796 0.2 2 41 6 6 LEU CG C 27.508 0.2 1 42 6 6 LEU N N 119.338 0.2 1 43 7 7 MET H H 8.144 0.01 1 44 7 7 MET HA H 4.166 0.01 1 45 7 7 MET HG2 H 2.671 0.01 2 46 7 7 MET C C 178.854 0.2 1 47 7 7 MET CA C 58.795 0.2 1 48 7 7 MET CB C 32.485 0.2 1 49 7 7 MET N N 117.081 0.2 1 50 8 8 LYS H H 7.764 0.01 1 51 8 8 LYS HA H 4.225 0.01 1 52 8 8 LYS HB2 H 1.745 0.01 2 53 8 8 LYS HB3 H 2.079 0.01 2 54 8 8 LYS HD2 H 1.569 0.01 2 55 8 8 LYS C C 179.158 0.2 1 56 8 8 LYS CA C 58.881 0.2 1 57 8 8 LYS CB C 31.999 0.2 1 58 8 8 LYS CD C 28.830 0.2 1 59 8 8 LYS CG C 24.812 0.2 1 60 8 8 LYS N N 120.511 0.2 1 61 9 9 GLU H H 8.647 0.01 1 62 9 9 GLU HA H 4.192 0.01 1 63 9 9 GLU HG2 H 2.411 0.01 2 64 9 9 GLU HG3 H 2.885 0.01 2 65 9 9 GLU C C 179.291 0.2 1 66 9 9 GLU CA C 60.744 0.2 1 67 9 9 GLU CB C 30.473 0.2 1 68 9 9 GLU CG C 38.414 0.2 1 69 9 9 GLU N N 119.534 0.2 1 70 10 10 LEU H H 8.534 0.01 1 71 10 10 LEU HA H 3.882 0.01 1 72 10 10 LEU HB2 H 1.410 0.01 2 73 10 10 LEU HB3 H 1.839 0.01 2 74 10 10 LEU HD1 H -0.150 0.01 2 75 10 10 LEU HD2 H 0.452 0.01 2 76 10 10 LEU HG H 1.130 0.01 1 77 10 10 LEU C C 178.159 0.2 1 78 10 10 LEU CA C 57.672 0.2 1 79 10 10 LEU CB C 41.246 0.2 1 80 10 10 LEU CD1 C 21.930 0.2 1 81 10 10 LEU CD2 C 25.680 0.2 1 82 10 10 LEU CG C 26.122 0.2 1 83 10 10 LEU N N 120.670 0.2 1 84 11 11 GLU H H 7.893 0.01 1 85 11 11 GLU HA H 3.983 0.01 1 86 11 11 GLU HG2 H 2.236 0.01 2 87 11 11 GLU HG3 H 2.365 0.01 2 88 11 11 GLU C C 179.433 0.2 1 89 11 11 GLU CA C 59.459 0.2 1 90 11 11 GLU CB C 29.626 0.2 1 91 11 11 GLU CG C 36.267 0.2 1 92 11 11 GLU N N 118.824 0.2 1 93 12 12 GLU H H 8.194 0.01 1 94 12 12 GLU HA H 4.030 0.01 1 95 12 12 GLU HB2 H 2.135 0.01 2 96 12 12 GLU HG2 H 2.327 0.01 2 97 12 12 GLU HG3 H 2.571 0.01 2 98 12 12 GLU C C 179.595 0.2 1 99 12 12 GLU CA C 59.535 0.2 1 100 12 12 GLU CB C 29.599 0.2 1 101 12 12 GLU CG C 36.766 0.2 1 102 12 12 GLU N N 117.845 0.2 1 103 13 13 ILE H H 8.493 0.01 1 104 13 13 ILE HA H 4.034 0.01 1 105 13 13 ILE HB H 2.140 0.01 1 106 13 13 ILE HD1 H 1.070 0.01 1 107 13 13 ILE HG12 H 1.980 0.01 1 108 13 13 ILE HG13 H 1.445 0.01 9 109 13 13 ILE HG2 H 1.090 0.01 1 110 13 13 ILE C C 180.113 0.2 1 111 13 13 ILE CA C 65.004 0.2 1 112 13 13 ILE CB C 37.924 0.2 1 113 13 13 ILE CD1 C 13.472 0.2 1 114 13 13 ILE CG1 C 30.035 0.2 1 115 13 13 ILE CG2 C 17.601 0.2 1 116 13 13 ILE N N 121.701 0.2 1 117 14 14 ARG H H 8.492 0.01 1 118 14 14 ARG HA H 4.037 0.01 1 119 14 14 ARG HB2 H 1.868 0.01 2 120 14 14 ARG HD2 H 3.008 0.01 2 121 14 14 ARG HG2 H 1.560 0.01 2 122 14 14 ARG C C 178.405 0.2 1 123 14 14 ARG CA C 59.744 0.2 1 124 14 14 ARG CB C 30.391 0.2 1 125 14 14 ARG CD C 43.747 0.2 1 126 14 14 ARG CG C 28.589 0.2 1 127 14 14 ARG N N 121.331 0.2 1 128 15 15 LYS H H 7.805 0.01 1 129 15 15 LYS HA H 4.313 0.01 1 130 15 15 LYS HB2 H 1.945 0.01 2 131 15 15 LYS HD2 H 1.628 0.01 2 132 15 15 LYS C C 177.703 0.2 1 133 15 15 LYS CA C 57.588 0.2 1 134 15 15 LYS CB C 32.845 0.2 1 135 15 15 LYS CD C 29.292 0.2 1 136 15 15 LYS CE C 41.943 0.2 1 137 15 15 LYS CG C 25.146 0.2 1 138 15 15 LYS N N 117.469 0.2 1 139 16 16 SER H H 7.790 0.01 1 140 16 16 SER HA H 4.115 0.01 1 141 16 16 SER C C 175.769 0.2 1 142 16 16 SER CA C 60.353 0.2 1 143 16 16 SER CB C 64.159 0.2 1 144 16 16 SER N N 114.422 0.2 1 145 17 17 GLY H H 8.162 0.01 1 146 17 17 GLY HA2 H 3.987 0.01 2 147 17 17 GLY C C 174.704 0.2 1 148 17 17 GLY CA C 46.373 0.2 1 149 17 17 GLY N N 110.636 0.2 1 150 18 18 MET H H 8.342 0.01 1 151 18 18 MET HA H 4.370 0.01 1 152 18 18 MET HG2 H 2.742 0.01 2 153 18 18 MET C C 176.861 0.2 1 154 18 18 MET CA C 56.690 0.2 1 155 18 18 MET CB C 33.752 0.2 1 156 18 18 MET CG C 32.277 0.2 1 157 18 18 MET N N 119.308 0.2 1 158 19 19 LYS H H 8.691 0.01 1 159 19 19 LYS HA H 4.226 0.01 1 160 19 19 LYS HB2 H 1.874 0.01 2 161 19 19 LYS HD2 H 1.518 0.01 2 162 19 19 LYS C C 177.404 0.2 1 163 19 19 LYS CA C 57.927 0.2 1 164 19 19 LYS CB C 32.800 0.2 1 165 19 19 LYS CD C 28.963 0.2 1 166 19 19 LYS CG C 24.856 0.2 1 167 19 19 LYS N N 122.664 0.2 1 168 20 20 ASN H H 8.216 0.01 1 169 20 20 ASN HA H 4.892 0.01 1 170 20 20 ASN HB2 H 2.863 0.01 2 171 20 20 ASN HB3 H 3.086 0.01 2 172 20 20 ASN HD21 H 7.951 0.01 2 173 20 20 ASN HD22 H 7.333 0.01 2 174 20 20 ASN C C 173.682 0.2 1 175 20 20 ASN CA C 53.768 0.2 1 176 20 20 ASN CB C 39.232 0.2 1 177 20 20 ASN CG C 177.042 0.2 1 178 20 20 ASN N N 112.007 0.2 1 179 20 20 ASN ND2 N 110.551 0.2 1 180 21 21 PHE H H 7.149 0.01 1 181 21 21 PHE HB2 H 2.712 0.01 2 182 21 21 PHE HB3 H 3.126 0.01 2 183 21 21 PHE C C 173.164 0.2 1 184 21 21 PHE CA C 55.769 0.2 1 185 21 21 PHE CB C 40.526 0.2 1 186 21 21 PHE N N 120.502 0.2 1 187 22 22 ARG H H 8.916 0.01 1 188 22 22 ARG HA H 4.644 0.01 1 189 22 22 ARG HB2 H 1.908 0.01 2 190 22 22 ARG HG2 H 1.477 0.01 2 191 22 22 ARG C C 173.812 0.2 1 192 22 22 ARG CA C 53.227 0.2 1 193 22 22 ARG CB C 34.146 0.2 1 194 22 22 ARG CD C 42.966 0.2 1 195 22 22 ARG CG C 26.206 0.2 1 196 22 22 ARG N N 122.547 0.2 1 197 23 23 ASN H H 8.701 0.01 1 198 23 23 ASN HA H 4.136 0.01 1 199 23 23 ASN HB2 H 2.602 0.01 2 200 23 23 ASN HB3 H 2.882 0.01 2 201 23 23 ASN HD21 H 7.204 0.01 2 202 23 23 ASN HD22 H 6.795 0.01 2 203 23 23 ASN C C 173.718 0.2 1 204 23 23 ASN CA C 53.444 0.2 1 205 23 23 ASN CB C 36.133 0.2 1 206 23 23 ASN CG C 177.894 0.2 1 207 23 23 ASN N N 117.099 0.2 1 208 23 23 ASN ND2 N 109.843 0.2 1 209 24 24 ILE H H 7.912 0.01 1 210 24 24 ILE HA H 4.256 0.01 1 211 24 24 ILE HB H 1.400 0.01 1 212 24 24 ILE HD1 H 0.560 0.01 1 213 24 24 ILE HG12 H 0.220 0.01 1 214 24 24 ILE HG13 H 0.950 0.01 1 215 24 24 ILE HG2 H 0.470 0.01 1 216 24 24 ILE C C 177.012 0.2 1 217 24 24 ILE CA C 62.232 0.2 1 218 24 24 ILE CB C 38.003 0.2 1 219 24 24 ILE CD1 C 14.430 0.2 1 220 24 24 ILE CG1 C 28.423 0.2 1 221 24 24 ILE CG2 C 17.252 0.2 1 222 24 24 ILE N N 118.323 0.2 1 223 25 25 GLN H H 9.224 0.01 1 224 25 25 GLN HA H 4.627 0.01 1 225 25 25 GLN HE21 H 7.422 0.01 2 226 25 25 GLN HE22 H 6.718 0.01 2 227 25 25 GLN HG2 H 2.230 0.01 2 228 25 25 GLN C C 174.365 0.2 1 229 25 25 GLN CA C 54.756 0.2 1 230 25 25 GLN CB C 31.934 0.2 1 231 25 25 GLN CD C 180.566 0.2 1 232 25 25 GLN CG C 33.428 0.2 1 233 25 25 GLN N N 130.074 0.2 1 234 25 25 GLN NE2 N 111.477 0.2 1 235 26 26 VAL H H 8.313 0.01 1 236 26 26 VAL HA H 4.557 0.01 1 237 26 26 VAL HB H 1.700 0.01 1 238 26 26 VAL HG1 H 0.580 0.01 2 239 26 26 VAL HG2 H 0.420 0.01 2 240 26 26 VAL C C 174.665 0.2 1 241 26 26 VAL CA C 60.682 0.2 1 242 26 26 VAL CB C 35.209 0.2 1 243 26 26 VAL CG1 C 20.804 0.2 2 244 26 26 VAL CG2 C 20.060 0.2 1 245 26 26 VAL N N 122.164 0.2 1 246 27 27 ASP H H 8.821 0.01 1 247 27 27 ASP HA H 4.651 0.01 1 248 27 27 ASP HB2 H 2.644 0.01 2 249 27 27 ASP HB3 H 2.956 0.01 2 250 27 27 ASP C C 177.116 0.2 1 251 27 27 ASP CA C 53.701 0.2 1 252 27 27 ASP CB C 42.026 0.2 1 253 27 27 ASP N N 126.720 0.2 1 254 28 28 GLU H H 8.781 0.01 1 255 28 28 GLU HA H 3.913 0.01 1 256 28 28 GLU HB2 H 2.005 0.01 2 257 28 28 GLU HG2 H 2.303 0.01 2 258 28 28 GLU C C 176.724 0.2 1 259 28 28 GLU CA C 58.746 0.2 1 260 28 28 GLU CB C 29.514 0.2 1 261 28 28 GLU CG C 36.737 0.2 1 262 28 28 GLU N N 125.789 0.2 1 263 29 29 ALA H H 8.456 0.01 1 264 29 29 ALA HB H 1.431 0.01 1 265 29 29 ALA C C 178.018 0.2 1 266 29 29 ALA CA C 53.204 0.2 1 267 29 29 ALA CB C 19.128 0.2 1 268 29 29 ALA N N 120.306 0.2 1 269 30 30 ASN H H 7.955 0.01 1 270 30 30 ASN HB2 H 2.848 0.01 2 271 30 30 ASN HD21 H 7.738 0.01 2 272 30 30 ASN HD22 H 6.870 0.01 2 273 30 30 ASN CA C 52.781 0.2 1 274 30 30 ASN CB C 38.923 0.2 1 275 30 30 ASN N N 114.793 0.2 1 276 30 30 ASN ND2 N 111.823 0.2 1 277 31 31 LEU H H 8.584 0.01 1 278 31 31 LEU HB2 H 1.810 0.01 2 279 31 31 LEU HB3 H 1.778 0.01 2 280 31 31 LEU HD1 H 0.830 0.01 2 281 31 31 LEU HD2 H 0.900 0.01 2 282 31 31 LEU C C 175.319 0.2 1 283 31 31 LEU CA C 56.658 0.2 1 284 31 31 LEU CB C 41.877 0.2 1 285 31 31 LEU CD1 C 24.276 0.2 2 286 31 31 LEU CD2 C 25.680 0.2 1 287 31 31 LEU CG C 25.617 0.2 1 288 31 31 LEU N N 120.635 0.2 1 289 32 32 LEU H H 7.636 0.01 1 290 32 32 LEU HA H 4.374 0.01 1 291 32 32 LEU HB2 H 1.784 0.01 2 292 32 32 LEU HB3 H 2.368 0.01 2 293 32 32 LEU HD1 H 0.925 0.01 2 294 32 32 LEU HD2 H 0.890 0.01 2 295 32 32 LEU C C 176.687 0.2 1 296 32 32 LEU CA C 56.387 0.2 1 297 32 32 LEU CB C 40.254 0.2 1 298 32 32 LEU CD1 C 22.254 0.2 2 299 32 32 LEU CD2 C 25.071 0.2 2 300 32 32 LEU CG C 27.689 0.2 1 301 32 32 LEU N N 112.484 0.2 1 302 33 33 THR H H 7.426 0.01 1 303 33 33 THR HA H 3.994 0.01 1 304 33 33 THR HG2 H 1.206 0.01 1 305 33 33 THR C C 173.622 0.2 1 306 33 33 THR CA C 62.052 0.2 1 307 33 33 THR CB C 71.409 0.2 1 308 33 33 THR CG2 C 21.966 0.2 1 309 33 33 THR N N 113.808 0.2 1 310 34 34 TRP H H 9.655 0.01 1 311 34 34 TRP HB2 H 3.135 0.01 2 312 34 34 TRP HB3 H 3.277 0.01 2 313 34 34 TRP HD1 H 6.962 0.01 1 314 34 34 TRP C C 175.733 0.2 1 315 34 34 TRP CA C 53.663 0.2 1 316 34 34 TRP CB C 32.961 0.2 1 317 34 34 TRP CD1 C 125.102 0.2 1 318 34 34 TRP N N 127.734 0.2 1 319 35 35 GLN H H 8.886 0.01 1 320 35 35 GLN HA H 5.654 0.01 1 321 35 35 GLN HE21 H 7.838 0.01 2 322 35 35 GLN HE22 H 6.888 0.01 2 323 35 35 GLN HG2 H 2.487 0.01 2 324 35 35 GLN C C 175.052 0.2 1 325 35 35 GLN CA C 54.331 0.2 1 326 35 35 GLN CB C 33.049 0.2 1 327 35 35 GLN CD C 180.157 0.2 1 328 35 35 GLN CG C 34.212 0.2 1 329 35 35 GLN N N 118.936 0.2 1 330 35 35 GLN NE2 N 111.003 0.2 1 331 36 36 GLY H H 8.194 0.01 1 332 36 36 GLY HA2 H 3.455 0.01 2 333 36 36 GLY HA3 H 4.274 0.01 2 334 36 36 GLY C C 170.427 0.2 1 335 36 36 GLY CA C 45.856 0.2 1 336 36 36 GLY N N 104.021 0.2 1 337 37 37 LEU H H 8.654 0.01 1 338 37 37 LEU HB2 H 1.300 0.01 2 339 37 37 LEU HB3 H 1.300 0.01 2 340 37 37 LEU HD1 H 0.660 0.01 2 341 37 37 LEU HD2 H 0.620 0.01 2 342 37 37 LEU HG H 1.321 0.01 1 343 37 37 LEU C C 176.400 0.2 1 344 37 37 LEU CA C 53.273 0.2 1 345 37 37 LEU CB C 45.678 0.2 1 346 37 37 LEU CD1 C 24.512 0.2 1 347 37 37 LEU CD2 C 24.660 0.2 1 348 37 37 LEU N N 120.384 0.2 1 349 38 38 ILE H H 9.688 0.01 1 350 38 38 ILE HA H 5.175 0.01 1 351 38 38 ILE HB H 2.250 0.01 1 352 38 38 ILE HD1 H 0.736 0.01 1 353 38 38 ILE HG12 H 1.410 0.01 1 354 38 38 ILE HG13 H 1.570 0.01 1 355 38 38 ILE HG2 H 0.971 0.01 1 356 38 38 ILE C C 176.368 0.2 1 357 38 38 ILE CA C 59.401 0.2 1 358 38 38 ILE CB C 38.152 0.2 1 359 38 38 ILE CD1 C 12.423 0.2 1 360 38 38 ILE CG1 C 27.512 0.2 2 361 38 38 ILE CG2 C 17.250 0.2 1 362 38 38 ILE N N 124.371 0.2 1 363 39 39 VAL H H 8.667 0.01 1 364 39 39 VAL HB H 2.250 0.01 1 365 39 39 VAL HG1 H 0.740 0.01 2 366 39 39 VAL HG2 H 0.930 0.01 2 367 39 39 VAL CB C 32.416 0.2 1 368 39 39 VAL CG1 C 20.990 0.2 1 369 39 39 VAL CG2 C 21.930 0.2 1 370 39 39 VAL N N 129.062 0.2 1 371 40 40 PRO HA H 4.511 0.01 1 372 40 40 PRO HB2 H 2.418 0.01 2 373 40 40 PRO HB3 H 2.670 0.01 2 374 40 40 PRO HG2 H 1.785 0.01 2 375 40 40 PRO HG3 H 2.036 0.01 2 376 40 40 PRO C C 176.595 0.2 1 377 40 40 PRO CA C 63.335 0.2 1 378 40 40 PRO CB C 33.287 0.2 1 379 40 40 PRO CG C 28.791 0.2 1 380 41 41 ASP H H 9.111 0.01 1 381 41 41 ASP HA H 4.929 0.01 1 382 41 41 ASP HB2 H 2.606 0.01 2 383 41 41 ASP HB3 H 2.829 0.01 2 384 41 41 ASP C C 175.980 0.2 1 385 41 41 ASP CA C 55.370 0.2 1 386 41 41 ASP CB C 43.334 0.2 1 387 41 41 ASP N N 119.005 0.2 1 388 42 42 ASN H H 7.813 0.01 1 389 42 42 ASN HA H 5.493 0.01 1 390 42 42 ASN HD21 H 7.458 0.01 2 391 42 42 ASN HD22 H 7.024 0.01 2 392 42 42 ASN C C 176.124 0.2 1 393 42 42 ASN CA C 50.595 0.2 1 394 42 42 ASN CB C 39.887 0.2 1 395 42 42 ASN N N 116.575 0.2 1 396 42 42 ASN ND2 N 112.372 0.2 1 397 44 44 PRO HA H 4.760 0.01 1 398 44 44 PRO HB2 H 2.291 0.01 2 399 44 44 PRO C C 175.279 0.2 1 400 44 44 PRO CA C 63.935 0.2 1 401 44 44 PRO CB C 33.560 0.2 1 402 44 44 PRO CG C 24.402 0.2 1 403 45 45 TYR H H 8.054 0.01 1 404 45 45 TYR HB2 H 2.667 0.01 2 405 45 45 TYR HB3 H 3.748 0.01 2 406 45 45 TYR HD1 H 7.262 0.01 3 407 45 45 TYR C C 174.446 0.2 1 408 45 45 TYR CA C 58.819 0.2 1 409 45 45 TYR CB C 39.948 0.2 1 410 45 45 TYR CD1 C 132.007 0.2 1 411 45 45 TYR N N 121.617 0.2 1 412 46 46 ASP H H 8.142 0.01 1 413 46 46 ASP HA H 4.350 0.01 1 414 46 46 ASP HB2 H 2.094 0.01 2 415 46 46 ASP HB3 H 2.836 0.01 2 416 46 46 ASP C C 176.202 0.2 1 417 46 46 ASP CA C 55.125 0.2 1 418 46 46 ASP CB C 39.092 0.2 1 419 46 46 ASP N N 116.118 0.2 1 420 47 47 LYS H H 8.034 0.01 1 421 47 47 LYS HA H 4.526 0.01 1 422 47 47 LYS HB2 H 1.749 0.01 2 423 47 47 LYS HB3 H 2.046 0.01 2 424 47 47 LYS HG2 H 1.416 0.01 2 425 47 47 LYS C C 176.543 0.2 1 426 47 47 LYS CA C 55.044 0.2 1 427 47 47 LYS CB C 31.242 0.2 1 428 47 47 LYS CD C 28.247 0.2 1 429 47 47 LYS CE C 42.265 0.2 1 430 47 47 LYS CG C 25.300 0.2 1 431 47 47 LYS N N 115.668 0.2 1 432 48 48 GLY H H 7.752 0.01 1 433 48 48 GLY HA2 H 3.252 0.01 2 434 48 48 GLY HA3 H 4.561 0.01 2 435 48 48 GLY C C 169.503 0.2 1 436 48 48 GLY CA C 44.451 0.2 1 437 48 48 GLY N N 107.269 0.2 1 438 49 49 ALA H H 7.689 0.01 1 439 49 49 ALA HB H 1.207 0.01 1 440 49 49 ALA C C 174.437 0.2 1 441 49 49 ALA CA C 50.397 0.2 1 442 49 49 ALA CB C 22.815 0.2 1 443 49 49 ALA N N 118.459 0.2 1 444 50 50 PHE H H 8.811 0.01 1 445 50 50 PHE HB2 H 2.816 0.01 2 446 50 50 PHE HB3 H 3.066 0.01 2 447 50 50 PHE C C 173.836 0.2 1 448 50 50 PHE CA C 57.568 0.2 1 449 50 50 PHE CB C 43.216 0.2 1 450 50 50 PHE N N 115.370 0.2 1 451 51 51 ARG H H 10.035 0.01 1 452 51 51 ARG HA H 4.866 0.01 1 453 51 51 ARG HB2 H 1.912 0.01 2 454 51 51 ARG HD2 H 3.209 0.01 2 455 51 51 ARG HG2 H 1.438 0.01 2 456 51 51 ARG C C 176.260 0.2 1 457 51 51 ARG CA C 56.387 0.2 1 458 51 51 ARG CB C 31.076 0.2 1 459 51 51 ARG CD C 42.849 0.2 1 460 51 51 ARG CG C 27.893 0.2 1 461 51 51 ARG N N 126.710 0.2 1 462 52 52 ILE H H 8.943 0.01 1 463 52 52 ILE HA H 5.051 0.01 1 464 52 52 ILE HB H 1.320 0.01 1 465 52 52 ILE HD1 H 0.360 0.01 1 466 52 52 ILE HG12 H 0.820 0.01 1 467 52 52 ILE HG13 H 1.304 0.01 9 468 52 52 ILE HG2 H -0.125 0.01 1 469 52 52 ILE C C 173.585 0.2 1 470 52 52 ILE CA C 58.687 0.2 1 471 52 52 ILE CB C 42.447 0.2 1 472 52 52 ILE CD1 C 14.430 0.2 1 473 52 52 ILE CG1 C 25.407 0.2 1 474 52 52 ILE CG2 C 16.811 0.2 1 475 52 52 ILE N N 117.987 0.2 1 476 53 53 GLU H H 8.994 0.01 1 477 53 53 GLU HA H 5.289 0.01 1 478 53 53 GLU HB2 H 1.956 0.01 2 479 53 53 GLU HG2 H 2.185 0.01 2 480 53 53 GLU C C 174.457 0.2 1 481 53 53 GLU CA C 54.683 0.2 1 482 53 53 GLU CB C 34.626 0.2 1 483 53 53 GLU CG C 37.801 0.2 1 484 53 53 GLU N N 121.591 0.2 1 485 54 54 ILE H H 9.404 0.01 1 486 54 54 ILE HA H 4.459 0.01 1 487 54 54 ILE HB H 1.300 0.01 1 488 54 54 ILE HD1 H 0.590 0.01 1 489 54 54 ILE HG12 H 1.324 0.01 9 490 54 54 ILE HG2 H -0.299 0.01 1 491 54 54 ILE C C 174.011 0.2 1 492 54 54 ILE CA C 59.861 0.2 1 493 54 54 ILE CB C 39.615 0.2 1 494 54 54 ILE CD1 C 13.500 0.2 1 495 54 54 ILE CG1 C 26.921 0.2 1 496 54 54 ILE CG2 C 17.859 0.2 1 497 54 54 ILE N N 125.859 0.2 1 498 55 55 ASN H H 8.724 0.01 1 499 55 55 ASN HA H 5.488 0.01 1 500 55 55 ASN HB2 H 2.368 0.01 2 501 55 55 ASN HB3 H 2.555 0.01 2 502 55 55 ASN HD21 H 7.748 0.01 2 503 55 55 ASN HD22 H 7.433 0.01 2 504 55 55 ASN C C 174.192 0.2 1 505 55 55 ASN CA C 52.035 0.2 1 506 55 55 ASN CB C 41.968 0.2 1 507 55 55 ASN CG C 176.503 0.2 1 508 55 55 ASN N N 123.910 0.2 1 509 55 55 ASN ND2 N 113.877 0.2 1 510 56 56 PHE H H 9.637 0.01 1 511 56 56 PHE CA C 55.735 0.2 1 512 56 56 PHE CB C 39.292 0.2 1 513 56 56 PHE N N 126.890 0.2 1 514 57 57 PRO HA H 4.619 0.01 1 515 57 57 PRO HB2 H 2.249 0.01 2 516 57 57 PRO HG2 H 1.847 0.01 2 517 57 57 PRO C C 176.789 0.2 1 518 57 57 PRO CA C 61.915 0.2 1 519 57 57 PRO CB C 31.473 0.2 1 520 57 57 PRO CG C 27.775 0.2 1 521 58 58 ALA H H 8.856 0.01 1 522 58 58 ALA HA H 4.042 0.01 1 523 58 58 ALA HB H 1.465 0.01 1 524 58 58 ALA C C 179.451 0.2 1 525 58 58 ALA CA C 55.239 0.2 1 526 58 58 ALA CB C 17.965 0.2 1 527 58 58 ALA N N 123.520 0.2 1 528 59 59 GLU H H 8.716 0.01 1 529 59 59 GLU HA H 4.407 0.01 1 530 59 59 GLU HB2 H 1.819 0.01 2 531 59 59 GLU HG2 H 2.284 0.01 2 532 59 59 GLU HG3 H 2.485 0.01 2 533 59 59 GLU C C 176.667 0.2 1 534 59 59 GLU CA C 57.050 0.2 1 535 59 59 GLU CB C 29.477 0.2 1 536 59 59 GLU CG C 36.929 0.2 1 537 59 59 GLU N N 111.571 0.2 1 538 60 60 TYR H H 8.114 0.01 1 539 60 60 TYR HD1 H 7.082 0.01 3 540 60 60 TYR CA C 58.301 0.2 1 541 60 60 TYR CB C 39.115 0.2 1 542 60 60 TYR CD1 C 133.194 0.2 1 543 60 60 TYR N N 123.644 0.2 1 544 61 61 PRO HB2 H 0.777 0.01 2 545 61 61 PRO HB3 H 2.409 0.01 2 546 61 61 PRO HD2 H 3.890 0.01 2 547 61 61 PRO C C 174.969 0.2 1 548 61 61 PRO CA C 63.834 0.2 1 549 61 61 PRO CB C 33.221 0.2 1 550 61 61 PRO CG C 24.317 0.2 1 551 62 62 PHE H H 9.264 0.01 1 552 62 62 PHE HB2 H 3.141 0.01 2 553 62 62 PHE HB3 H 3.432 0.01 2 554 62 62 PHE HD1 H 7.393 0.01 3 555 62 62 PHE C C 175.394 0.2 1 556 62 62 PHE CA C 60.879 0.2 1 557 62 62 PHE CB C 38.174 0.2 1 558 62 62 PHE CD1 C 131.369 0.2 1 559 62 62 PHE N N 125.794 0.2 1 560 63 63 LYS H H 7.026 0.01 1 561 63 63 LYS CA C 52.649 0.2 1 562 63 63 LYS CB C 35.945 0.2 1 563 63 63 LYS N N 117.271 0.2 1 564 65 65 PRO HA H 4.363 0.01 1 565 65 65 PRO HB2 H 1.390 0.01 2 566 65 65 PRO HG2 H 0.794 0.01 2 567 65 65 PRO HG3 H 1.103 0.01 2 568 65 65 PRO C C 174.188 0.2 1 569 65 65 PRO CA C 61.443 0.2 1 570 65 65 PRO CB C 32.093 0.2 1 571 65 65 PRO CG C 25.552 0.2 1 572 66 66 LYS H H 7.944 0.01 1 573 66 66 LYS HA H 4.492 0.01 1 574 66 66 LYS HD2 H 1.643 0.01 2 575 66 66 LYS HG2 H 1.287 0.01 2 576 66 66 LYS C C 175.415 0.2 1 577 66 66 LYS CA C 54.944 0.2 1 578 66 66 LYS CB C 35.623 0.2 1 579 66 66 LYS CD C 29.100 0.2 1 580 66 66 LYS CG C 24.704 0.2 1 581 66 66 LYS N N 117.204 0.2 1 582 67 67 ILE H H 8.481 0.01 1 583 67 67 ILE HA H 4.750 0.01 1 584 67 67 ILE HB H 1.320 0.01 1 585 67 67 ILE HD1 H 0.430 0.01 1 586 67 67 ILE HG12 H 0.650 0.01 1 587 67 67 ILE HG13 H 1.160 0.01 1 588 67 67 ILE HG2 H 0.560 0.01 1 589 67 67 ILE C C 174.044 0.2 1 590 67 67 ILE CA C 60.266 0.2 1 591 67 67 ILE CB C 40.439 0.2 1 592 67 67 ILE CD1 C 13.745 0.2 1 593 67 67 ILE CG1 C 27.778 0.2 1 594 67 67 ILE CG2 C 17.355 0.2 1 595 67 67 ILE N N 124.523 0.2 1 596 68 68 THR H H 8.700 0.01 1 597 68 68 THR HB H 3.804 0.01 1 598 68 68 THR HG2 H 1.138 0.01 1 599 68 68 THR C C 174.411 0.2 1 600 68 68 THR CA C 60.521 0.2 1 601 68 68 THR CB C 72.186 0.2 1 602 68 68 THR CG2 C 21.813 0.2 1 603 68 68 THR N N 120.459 0.2 1 604 69 69 PHE H H 10.441 0.01 1 605 69 69 PHE HB2 H 3.115 0.01 2 606 69 69 PHE HB3 H 3.339 0.01 2 607 69 69 PHE C C 175.879 0.2 1 608 69 69 PHE CA C 59.123 0.2 1 609 69 69 PHE CB C 38.837 0.2 1 610 69 69 PHE N N 126.949 0.2 1 611 70 70 LYS H H 9.048 0.01 1 612 70 70 LYS HA H 4.420 0.01 1 613 70 70 LYS HB2 H 2.034 0.01 2 614 70 70 LYS HG2 H 1.397 0.01 2 615 70 70 LYS C C 176.491 0.2 1 616 70 70 LYS CA C 54.937 0.2 1 617 70 70 LYS CB C 31.341 0.2 1 618 70 70 LYS CD C 27.224 0.2 1 619 70 70 LYS CG C 23.793 0.2 1 620 70 70 LYS N N 123.633 0.2 1 621 71 71 THR H H 7.491 0.01 1 622 71 71 THR HA H 4.110 0.01 1 623 71 71 THR HG2 H 2.059 0.01 1 624 71 71 THR C C 174.085 0.2 1 625 71 71 THR CA C 62.466 0.2 1 626 71 71 THR CB C 71.359 0.2 1 627 71 71 THR CG2 C 24.114 0.2 1 628 71 71 THR N N 118.910 0.2 1 629 72 72 LYS H H 9.011 0.01 1 630 72 72 LYS HA H 4.238 0.01 1 631 72 72 LYS HB2 H 1.937 0.01 2 632 72 72 LYS HD2 H 1.552 0.01 2 633 72 72 LYS HG2 H 1.280 0.01 2 634 72 72 LYS C C 175.144 0.2 1 635 72 72 LYS CA C 57.994 0.2 1 636 72 72 LYS CB C 33.379 0.2 1 637 72 72 LYS CD C 28.934 0.2 1 638 72 72 LYS CG C 25.203 0.2 1 639 72 72 LYS N N 126.852 0.2 1 640 73 73 ILE H H 8.024 0.01 1 641 73 73 ILE HA H 4.807 0.01 1 642 73 73 ILE HB H 1.502 0.01 1 643 73 73 ILE HD1 H -0.750 0.01 1 644 73 73 ILE HG12 H 0.450 0.01 1 645 73 73 ILE HG2 H 0.200 0.01 1 646 73 73 ILE C C 171.322 0.2 1 647 73 73 ILE CA C 59.598 0.2 1 648 73 73 ILE CB C 41.070 0.2 1 649 73 73 ILE CD1 C 11.620 0.2 1 650 73 73 ILE CG1 C 29.400 0.2 1 651 73 73 ILE CG2 C 14.990 0.2 1 652 73 73 ILE N N 118.967 0.2 1 653 74 74 TYR H H 8.454 0.01 1 654 74 74 TYR HB2 H 2.007 0.01 2 655 74 74 TYR HB3 H 3.264 0.01 2 656 74 74 TYR HD1 H 6.264 0.01 3 657 74 74 TYR HE1 H 6.468 0.01 3 658 74 74 TYR C C 172.850 0.2 1 659 74 74 TYR CA C 57.206 0.2 1 660 74 74 TYR CB C 37.966 0.2 1 661 74 74 TYR CD1 C 133.090 0.2 1 662 74 74 TYR CE1 C 118.632 0.2 1 663 74 74 TYR N N 132.054 0.2 1 664 75 75 HIS H H 8.660 0.01 1 665 75 75 HIS HD2 H 6.750 0.01 1 666 75 75 HIS CA C 55.262 0.2 1 667 75 75 HIS CB C 36.707 0.2 1 668 75 75 HIS CD2 C 117.973 0.2 1 669 75 75 HIS N N 128.749 0.2 1 670 76 76 PRO HA H 4.332 0.01 1 671 76 76 PRO HB2 H 1.876 0.01 2 672 76 76 PRO HG2 H 1.157 0.01 2 673 76 76 PRO HG3 H 1.511 0.01 2 674 76 76 PRO C C 177.160 0.2 1 675 76 76 PRO CA C 64.594 0.2 1 676 76 76 PRO CB C 32.616 0.2 1 677 76 76 PRO CG C 26.669 0.2 1 678 77 77 ASN H H 11.381 0.01 1 679 77 77 ASN HB2 H 2.379 0.01 2 680 77 77 ASN HB3 H 3.449 0.01 2 681 77 77 ASN HD21 H 7.673 0.01 2 682 77 77 ASN HD22 H 7.001 0.01 2 683 77 77 ASN C C 170.493 0.2 1 684 77 77 ASN CA C 54.910 0.2 1 685 77 77 ASN CB C 40.986 0.2 1 686 77 77 ASN N N 118.840 0.2 1 687 77 77 ASN ND2 N 108.725 0.2 1 688 78 78 ILE H H 7.277 0.01 1 689 78 78 ILE HA H 5.016 0.01 1 690 78 78 ILE HB H 0.910 0.01 1 691 78 78 ILE HD1 H -0.690 0.01 1 692 78 78 ILE HG12 H 0.140 0.01 1 693 78 78 ILE HG13 H 0.680 0.01 1 694 78 78 ILE HG2 H 0.420 0.01 1 695 78 78 ILE C C 175.672 0.2 1 696 78 78 ILE CA C 59.878 0.2 1 697 78 78 ILE CB C 41.730 0.2 1 698 78 78 ILE CD1 C 13.490 0.2 1 699 78 78 ILE CG1 C 28.066 0.2 1 700 78 78 ILE CG2 C 16.310 0.2 1 701 78 78 ILE N N 120.491 0.2 1 702 79 79 ASP H H 8.656 0.01 1 703 79 79 ASP HA H 4.497 0.01 1 704 79 79 ASP HB2 H 2.563 0.01 2 705 79 79 ASP HB3 H 3.367 0.01 2 706 79 79 ASP C C 177.964 0.2 1 707 79 79 ASP CA C 52.805 0.2 1 708 79 79 ASP CB C 41.395 0.2 1 709 79 79 ASP N N 125.329 0.2 1 710 80 80 GLU H H 9.157 0.01 1 711 80 80 GLU HA H 4.186 0.01 1 712 80 80 GLU HG2 H 2.275 0.01 2 713 80 80 GLU C C 177.239 0.2 1 714 80 80 GLU CA C 58.978 0.2 1 715 80 80 GLU CB C 29.821 0.2 1 716 80 80 GLU CG C 37.745 0.2 1 717 80 80 GLU N N 116.101 0.2 1 718 81 81 LYS H H 8.141 0.01 1 719 81 81 LYS HA H 4.477 0.01 1 720 81 81 LYS HB2 H 2.022 0.01 2 721 81 81 LYS HD2 H 1.445 0.01 2 722 81 81 LYS HD3 H 1.691 0.01 2 723 81 81 LYS HE2 H 2.999 0.01 2 724 81 81 LYS C C 176.746 0.2 1 725 81 81 LYS CA C 55.785 0.2 1 726 81 81 LYS CB C 32.318 0.2 1 727 81 81 LYS CD C 29.076 0.2 1 728 81 81 LYS CE C 42.384 0.2 1 729 81 81 LYS CG C 25.341 0.2 1 730 81 81 LYS N N 118.568 0.2 1 731 82 82 GLY H H 8.155 0.01 1 732 82 82 GLY HA2 H 3.623 0.01 2 733 82 82 GLY HA3 H 4.759 0.01 2 734 82 82 GLY C C 174.639 0.2 1 735 82 82 GLY CA C 46.284 0.2 1 736 82 82 GLY N N 109.582 0.2 1 737 83 83 GLN H H 8.692 0.01 1 738 83 83 GLN HA H 4.513 0.01 1 739 83 83 GLN HE21 H 8.065 0.01 2 740 83 83 GLN HE22 H 6.866 0.01 2 741 83 83 GLN HG2 H 2.462 0.01 2 742 83 83 GLN HG3 H 2.195 0.01 2 743 83 83 GLN C C 174.281 0.2 1 744 83 83 GLN CA C 55.937 0.2 1 745 83 83 GLN CB C 29.040 0.2 1 746 83 83 GLN CG C 35.153 0.2 1 747 83 83 GLN N N 120.583 0.2 1 748 83 83 GLN NE2 N 112.466 0.2 1 749 84 84 VAL H H 8.207 0.01 1 750 84 84 VAL HA H 4.689 0.01 1 751 84 84 VAL HB H 1.843 0.01 1 752 84 84 VAL HG1 H 0.811 0.01 2 753 84 84 VAL HG2 H 0.780 0.01 2 754 84 84 VAL C C 174.391 0.2 1 755 84 84 VAL CA C 59.430 0.2 1 756 84 84 VAL CB C 35.515 0.2 1 757 84 84 VAL CG1 C 19.905 0.2 2 758 84 84 VAL CG2 C 22.362 0.2 2 759 84 84 VAL N N 117.570 0.2 1 760 85 85 CYS H H 8.242 0.01 1 761 85 85 CYS HB2 H 2.905 0.01 2 762 85 85 CYS HB3 H 2.686 0.01 1 763 85 85 CYS C C 171.844 0.2 1 764 85 85 CYS CA C 57.617 0.2 1 765 85 85 CYS CB C 26.524 0.2 1 766 85 85 CYS N N 127.660 0.2 1 767 86 86 LEU H H 7.717 0.01 1 768 86 86 LEU HA H 4.930 0.01 1 769 86 86 LEU HD1 H 0.750 0.01 2 770 86 86 LEU HD2 H 0.860 0.01 2 771 86 86 LEU CA C 51.112 0.2 1 772 86 86 LEU CB C 44.555 0.2 1 773 86 86 LEU N N 126.403 0.2 1 774 87 87 PRO HA H 4.193 0.01 1 775 87 87 PRO HB2 H 2.222 0.01 2 776 87 87 PRO HG2 H 1.956 0.01 2 777 87 87 PRO C C 178.985 0.2 1 778 87 87 PRO CA C 66.621 0.2 1 779 87 87 PRO CB C 31.754 0.2 1 780 87 87 PRO CG C 27.039 0.2 1 781 88 88 VAL H H 7.941 0.01 1 782 88 88 VAL HA H 4.153 0.01 1 783 88 88 VAL HB H 2.290 0.01 1 784 88 88 VAL HG1 H 1.010 0.01 2 785 88 88 VAL HG2 H 1.090 0.01 2 786 88 88 VAL C C 174.990 0.2 1 787 88 88 VAL CA C 64.461 0.2 1 788 88 88 VAL CB C 31.574 0.2 1 789 88 88 VAL CG1 C 21.000 0.2 1 790 88 88 VAL CG2 C 22.870 0.2 1 791 88 88 VAL N N 114.186 0.2 1 792 89 89 ILE H H 7.416 0.01 1 793 89 89 ILE HA H 5.069 0.01 1 794 89 89 ILE HB H 2.383 0.01 1 795 89 89 ILE HD1 H 0.780 0.01 1 796 89 89 ILE HG12 H 0.700 0.01 1 797 89 89 ILE HG13 H 1.450 0.01 1 798 89 89 ILE HG2 H 0.950 0.01 1 799 89 89 ILE C C 175.163 0.2 1 800 89 89 ILE CA C 60.342 0.2 1 801 89 89 ILE CB C 37.059 0.2 1 802 89 89 ILE CD1 C 13.564 0.2 1 803 89 89 ILE CG1 C 26.325 0.2 1 804 89 89 ILE CG2 C 20.087 0.2 1 805 89 89 ILE N N 107.376 0.2 1 806 90 90 SER H H 7.788 0.01 1 807 90 90 SER C C 175.814 0.2 1 808 90 90 SER CA C 58.432 0.2 1 809 90 90 SER CB C 64.083 0.2 1 810 90 90 SER N N 118.495 0.2 1 811 91 91 ALA H H 9.026 0.01 1 812 91 91 ALA HB H 1.500 0.01 1 813 91 91 ALA C C 179.747 0.2 1 814 91 91 ALA CA C 55.871 0.2 1 815 91 91 ALA CB C 18.315 0.2 1 816 91 91 ALA N N 126.579 0.2 1 817 92 92 GLU H H 9.001 0.01 1 818 92 92 GLU HA H 4.180 0.01 1 819 92 92 GLU HB2 H 1.971 0.01 2 820 92 92 GLU HG2 H 2.291 0.01 2 821 92 92 GLU C C 176.912 0.2 1 822 92 92 GLU CA C 58.772 0.2 1 823 92 92 GLU CB C 29.168 0.2 1 824 92 92 GLU CG C 36.207 0.2 1 825 92 92 GLU N N 114.518 0.2 1 826 93 93 ASN H H 7.487 0.01 1 827 93 93 ASN HA H 4.923 0.01 1 828 93 93 ASN HB2 H 2.852 0.01 2 829 93 93 ASN HD21 H 7.330 0.01 2 830 93 93 ASN HD22 H 6.971 0.01 2 831 93 93 ASN C C 175.852 0.2 1 832 93 93 ASN CA C 52.762 0.2 1 833 93 93 ASN CB C 40.243 0.2 1 834 93 93 ASN N N 115.087 0.2 1 835 93 93 ASN ND2 N 112.827 0.2 1 836 94 94 TRP H H 7.928 0.01 1 837 94 94 TRP HB2 H 3.038 0.01 2 838 94 94 TRP HB3 H 3.155 0.01 2 839 94 94 TRP HD1 H 6.848 0.01 1 840 94 94 TRP C C 175.167 0.2 1 841 94 94 TRP CA C 58.379 0.2 1 842 94 94 TRP CB C 29.979 0.2 1 843 94 94 TRP CD1 C 125.694 0.2 1 844 94 94 TRP N N 121.771 0.2 1 845 95 95 LYS H H 6.674 0.01 1 846 95 95 LYS CA C 51.575 0.2 1 847 95 95 LYS CB C 33.589 0.2 1 848 95 95 LYS N N 126.478 0.2 1 849 96 96 PRO HA H 4.158 0.01 1 850 96 96 PRO HB2 H 2.017 0.01 2 851 96 96 PRO HG2 H 1.663 0.01 2 852 96 96 PRO C C 175.516 0.2 1 853 96 96 PRO CA C 64.230 0.2 1 854 96 96 PRO CB C 32.081 0.2 1 855 96 96 PRO CG C 27.405 0.2 1 856 97 97 ALA H H 7.158 0.01 1 857 97 97 ALA HB H 1.217 0.01 1 858 97 97 ALA C C 177.860 0.2 1 859 97 97 ALA CA C 52.711 0.2 1 860 97 97 ALA CB C 18.898 0.2 1 861 97 97 ALA N N 116.038 0.2 1 862 98 98 THR H H 7.505 0.01 1 863 98 98 THR HB H 3.472 0.01 1 864 98 98 THR HG2 H 1.118 0.01 1 865 98 98 THR C C 172.435 0.2 1 866 98 98 THR CA C 64.331 0.2 1 867 98 98 THR CB C 68.414 0.2 1 868 98 98 THR CG2 C 22.236 0.2 1 869 98 98 THR N N 117.943 0.2 1 870 99 99 LYS H H 8.195 0.01 1 871 99 99 LYS HA H 4.734 0.01 1 872 99 99 LYS HB2 H 1.849 0.01 2 873 99 99 LYS HB3 H 2.231 0.01 2 874 99 99 LYS C C 178.508 0.2 1 875 99 99 LYS CA C 55.237 0.2 1 876 99 99 LYS CB C 34.399 0.2 1 877 99 99 LYS CG C 25.384 0.2 1 878 99 99 LYS N N 125.201 0.2 1 879 100 100 THR H H 9.641 0.01 1 880 100 100 THR HB H 3.768 0.01 1 881 100 100 THR HG2 H 1.070 0.01 1 882 100 100 THR C C 176.343 0.2 1 883 100 100 THR CA C 67.799 0.2 1 884 100 100 THR CB C 68.249 0.2 1 885 100 100 THR CG2 C 21.923 0.2 1 886 100 100 THR N N 119.928 0.2 1 887 101 101 ASP H H 9.358 0.01 1 888 101 101 ASP HB2 H 2.714 0.01 2 889 101 101 ASP C C 177.707 0.2 1 890 101 101 ASP CA C 58.051 0.2 1 891 101 101 ASP CB C 39.243 0.2 1 892 101 101 ASP N N 121.160 0.2 1 893 102 102 GLN H H 7.484 0.01 1 894 102 102 GLN HA H 4.088 0.01 1 895 102 102 GLN HE21 H 7.659 0.01 2 896 102 102 GLN HE22 H 6.848 0.01 2 897 102 102 GLN HG2 H 2.431 0.01 2 898 102 102 GLN C C 179.735 0.2 1 899 102 102 GLN CA C 58.486 0.2 1 900 102 102 GLN CB C 28.508 0.2 1 901 102 102 GLN CG C 34.272 0.2 1 902 102 102 GLN N N 121.035 0.2 1 903 102 102 GLN NE2 N 111.879 0.2 1 904 103 103 VAL H H 7.733 0.01 1 905 103 103 VAL HA H 3.375 0.01 1 906 103 103 VAL HB H 2.420 0.01 1 907 103 103 VAL HG1 H 0.681 0.01 2 908 103 103 VAL HG2 H 1.090 0.01 2 909 103 103 VAL C C 177.388 0.2 1 910 103 103 VAL CA C 67.235 0.2 1 911 103 103 VAL CB C 31.290 0.2 1 912 103 103 VAL CG1 C 22.156 0.2 2 913 103 103 VAL CG2 C 22.870 0.2 1 914 103 103 VAL N N 122.039 0.2 1 915 104 104 ILE H H 8.472 0.01 1 916 104 104 ILE HA H 3.370 0.01 1 917 104 104 ILE HB H 1.829 0.01 1 918 104 104 ILE HD1 H 0.131 0.01 1 919 104 104 ILE HG12 H 0.981 0.01 9 920 104 104 ILE HG13 H 1.049 0.01 9 921 104 104 ILE HG2 H 0.378 0.01 1 922 104 104 ILE C C 177.959 0.2 1 923 104 104 ILE CA C 63.295 0.2 1 924 104 104 ILE CB C 35.945 0.2 1 925 104 104 ILE CD1 C 10.298 0.2 1 926 104 104 ILE CG1 C 27.640 0.2 1 927 104 104 ILE CG2 C 17.060 0.2 1 928 104 104 ILE N N 118.549 0.2 1 929 105 105 GLN H H 8.365 0.01 1 930 105 105 GLN HA H 3.988 0.01 1 931 105 105 GLN HB2 H 2.181 0.01 2 932 105 105 GLN HE21 H 7.400 0.01 2 933 105 105 GLN HE22 H 6.978 0.01 2 934 105 105 GLN HG2 H 2.532 0.01 2 935 105 105 GLN C C 179.777 0.2 1 936 105 105 GLN CA C 59.693 0.2 1 937 105 105 GLN CB C 28.094 0.2 1 938 105 105 GLN CG C 34.060 0.2 1 939 105 105 GLN N N 118.878 0.2 1 940 105 105 GLN NE2 N 111.646 0.2 1 941 106 106 SER H H 8.089 0.01 1 942 106 106 SER HA H 4.056 0.01 1 943 106 106 SER C C 176.461 0.2 1 944 106 106 SER CA C 62.357 0.2 1 945 106 106 SER CB C 63.228 0.2 1 946 106 106 SER N N 116.496 0.2 1 947 107 107 LEU H H 8.282 0.01 1 948 107 107 LEU HA H 4.064 0.01 1 949 107 107 LEU HB2 H 2.140 0.01 2 950 107 107 LEU HD1 H 0.751 0.01 2 951 107 107 LEU HD2 H 0.940 0.01 2 952 107 107 LEU HG H 1.342 0.01 1 953 107 107 LEU C C 177.702 0.2 1 954 107 107 LEU CA C 57.663 0.2 1 955 107 107 LEU CB C 41.319 0.2 1 956 107 107 LEU CD1 C 26.620 0.2 1 957 107 107 LEU CD2 C 23.510 0.2 1 958 107 107 LEU CG C 26.879 0.2 1 959 107 107 LEU N N 124.627 0.2 1 960 108 108 ILE H H 8.581 0.01 1 961 108 108 ILE HA H 3.387 0.01 1 962 108 108 ILE HB H 1.922 0.01 1 963 108 108 ILE HD1 H 0.750 0.01 1 964 108 108 ILE HG12 H 1.010 0.01 1 965 108 108 ILE HG13 H 1.647 0.01 9 966 108 108 ILE HG2 H 0.920 0.01 1 967 108 108 ILE C C 177.478 0.2 1 968 108 108 ILE CA C 65.365 0.2 1 969 108 108 ILE CB C 37.592 0.2 1 970 108 108 ILE CD1 C 14.066 0.2 1 971 108 108 ILE CG1 C 29.872 0.2 1 972 108 108 ILE CG2 C 17.710 0.2 1 973 108 108 ILE N N 120.167 0.2 1 974 109 109 ALA H H 7.897 0.01 1 975 109 109 ALA HA H 4.236 0.01 1 976 109 109 ALA HB H 1.575 0.01 1 977 109 109 ALA C C 179.514 0.2 1 978 109 109 ALA CA C 55.175 0.2 1 979 109 109 ALA CB C 17.795 0.2 1 980 109 109 ALA N N 120.804 0.2 1 981 110 110 LEU H H 7.575 0.01 1 982 110 110 LEU HA H 4.192 0.01 1 983 110 110 LEU HB2 H 1.540 0.01 2 984 110 110 LEU HB3 H 2.086 0.01 2 985 110 110 LEU HD1 H 0.988 0.01 2 986 110 110 LEU HD2 H 0.960 0.01 2 987 110 110 LEU HG H 1.350 0.01 1 988 110 110 LEU C C 178.906 0.2 1 989 110 110 LEU CA C 56.797 0.2 1 990 110 110 LEU CB C 42.447 0.2 1 991 110 110 LEU CD1 C 26.630 0.2 1 992 110 110 LEU CD2 C 23.800 0.2 1 993 110 110 LEU CG C 26.590 0.2 1 994 110 110 LEU N N 120.247 0.2 1 995 111 111 VAL H H 8.031 0.01 1 996 111 111 VAL HA H 3.039 0.01 1 997 111 111 VAL HB H 2.082 0.01 1 998 111 111 VAL HG1 H 0.442 0.01 2 999 111 111 VAL HG2 H 0.601 0.01 2 1000 111 111 VAL C C 175.242 0.2 1 1001 111 111 VAL CA C 67.212 0.2 1 1002 111 111 VAL CB C 30.972 0.2 1 1003 111 111 VAL CG1 C 21.297 0.2 2 1004 111 111 VAL CG2 C 22.911 0.2 2 1005 111 111 VAL N N 119.411 0.2 1 1006 112 112 ASN H H 7.867 0.01 1 1007 112 112 ASN HB2 H 2.927 0.01 2 1008 112 112 ASN HD21 H 7.560 0.01 2 1009 112 112 ASN HD22 H 7.225 0.01 2 1010 112 112 ASN C C 176.267 0.2 1 1011 112 112 ASN CA C 55.382 0.2 1 1012 112 112 ASN CB C 39.647 0.2 1 1013 112 112 ASN N N 111.550 0.2 1 1014 112 112 ASN ND2 N 111.829 0.2 1 1015 113 113 ASP H H 8.011 0.01 1 1016 113 113 ASP CA C 51.906 0.2 1 1017 113 113 ASP CB C 42.423 0.2 1 1018 113 113 ASP N N 118.579 0.2 1 1019 114 114 PRO HA H 3.933 0.01 1 1020 114 114 PRO HG2 H 1.086 0.01 2 1021 114 114 PRO C C 173.966 0.2 1 1022 114 114 PRO CA C 62.774 0.2 1 1023 114 114 PRO CB C 31.685 0.2 1 1024 115 115 GLN H H 8.491 0.01 1 1025 115 115 GLN HA H 4.850 0.01 1 1026 115 115 GLN HE21 H 7.797 0.01 2 1027 115 115 GLN HE22 H 6.700 0.01 2 1028 115 115 GLN CA C 51.956 0.2 1 1029 115 115 GLN CB C 29.661 0.2 1 1030 115 115 GLN CG C 32.969 0.2 1 1031 115 115 GLN N N 118.866 0.2 1 1032 115 115 GLN NE2 N 112.399 0.2 1 1033 116 116 PRO HB2 H 2.098 0.01 2 1034 116 116 PRO HD2 H 3.751 0.01 2 1035 116 116 PRO HG2 H 1.898 0.01 2 1036 116 116 PRO C C 175.063 0.2 1 1037 116 116 PRO CA C 64.419 0.2 1 1038 116 116 PRO CB C 32.371 0.2 1 1039 116 116 PRO CG C 27.313 0.2 1 1040 117 117 GLU H H 8.958 0.01 1 1041 117 117 GLU HA H 4.032 0.01 1 1042 117 117 GLU HB2 H 1.785 0.01 2 1043 117 117 GLU HB3 H 2.075 0.01 2 1044 117 117 GLU C C 176.379 0.2 1 1045 117 117 GLU CA C 58.201 0.2 1 1046 117 117 GLU CB C 29.008 0.2 1 1047 117 117 GLU CG C 36.346 0.2 1 1048 117 117 GLU N N 118.025 0.2 1 1049 118 118 HIS H H 7.174 0.01 1 1050 118 118 HIS HD2 H 7.095 0.01 1 1051 118 118 HIS CA C 52.887 0.2 1 1052 118 118 HIS CB C 29.295 0.2 1 1053 118 118 HIS CD2 C 121.102 0.2 1 1054 118 118 HIS N N 115.239 0.2 1 1055 119 119 PRO HA H 4.276 0.01 1 1056 119 119 PRO HG2 H 1.637 0.01 2 1057 119 119 PRO HG3 H 1.933 0.01 2 1058 119 119 PRO C C 176.866 0.2 1 1059 119 119 PRO CA C 63.125 0.2 1 1060 119 119 PRO CB C 33.195 0.2 1 1061 120 120 LEU H H 8.344 0.01 1 1062 120 120 LEU HA H 4.565 0.01 1 1063 120 120 LEU HB2 H 1.548 0.01 2 1064 120 120 LEU HD2 H 0.830 0.01 2 1065 120 120 LEU HG H 1.231 0.01 1 1066 120 120 LEU C C 177.288 0.2 1 1067 120 120 LEU CA C 55.599 0.2 1 1068 120 120 LEU CB C 44.114 0.2 1 1069 120 120 LEU CD1 C 21.503 0.2 2 1070 120 120 LEU CG C 25.931 0.2 1 1071 120 120 LEU N N 116.588 0.2 1 1072 121 121 ARG H H 7.702 0.01 1 1073 121 121 ARG CA C 54.864 0.2 1 1074 121 121 ARG CB C 31.791 0.2 1 1075 121 121 ARG N N 118.818 0.2 1 1076 122 122 ALA HA H 3.820 0.01 1 1077 122 122 ALA HB H 1.485 0.01 1 1078 122 122 ALA C C 179.268 0.2 1 1079 122 122 ALA CA C 55.753 0.2 1 1080 122 122 ALA CB C 18.313 0.2 1 1081 123 123 ASP H H 9.273 0.01 1 1082 123 123 ASP HB2 H 2.638 0.01 2 1083 123 123 ASP HB3 H 2.871 0.01 2 1084 123 123 ASP C C 179.501 0.2 1 1085 123 123 ASP CA C 56.028 0.2 1 1086 123 123 ASP CB C 37.432 0.2 1 1087 123 123 ASP N N 117.388 0.2 1 1088 124 124 LEU H H 7.547 0.01 1 1089 124 124 LEU HA H 4.169 0.01 1 1090 124 124 LEU HB2 H 1.240 0.01 2 1091 124 124 LEU HB3 H 1.420 0.01 2 1092 124 124 LEU HD1 H -0.040 0.01 2 1093 124 124 LEU HD2 H 0.240 0.01 2 1094 124 124 LEU HG H 1.288 0.01 1 1095 124 124 LEU C C 178.823 0.2 1 1096 124 124 LEU CA C 58.175 0.2 1 1097 124 124 LEU CB C 42.308 0.2 1 1098 124 124 LEU CD1 C 24.374 0.2 2 1099 124 124 LEU CD2 C 23.320 0.2 1 1100 124 124 LEU CG C 29.964 0.2 1 1101 124 124 LEU N N 123.209 0.2 1 1102 125 125 ALA H H 8.020 0.01 1 1103 125 125 ALA HA H 3.710 0.01 1 1104 125 125 ALA HB H 1.555 0.01 1 1105 125 125 ALA C C 178.673 0.2 1 1106 125 125 ALA CA C 55.639 0.2 1 1107 125 125 ALA CB C 18.597 0.2 1 1108 125 125 ALA N N 121.691 0.2 1 1109 126 126 GLU H H 7.892 0.01 1 1110 126 126 GLU HA H 4.085 0.01 1 1111 126 126 GLU HG2 H 2.296 0.01 2 1112 126 126 GLU C C 177.840 0.2 1 1113 126 126 GLU CA C 59.428 0.2 1 1114 126 126 GLU CB C 29.406 0.2 1 1115 126 126 GLU CG C 36.112 0.2 1 1116 126 126 GLU N N 119.314 0.2 1 1117 127 127 GLU H H 7.788 0.01 1 1118 127 127 GLU HA H 4.029 0.01 1 1119 127 127 GLU HG2 H 2.277 0.01 2 1120 127 127 GLU HG3 H 2.366 0.01 2 1121 127 127 GLU C C 177.267 0.2 1 1122 127 127 GLU CA C 60.103 0.2 1 1123 127 127 GLU CB C 31.934 0.2 1 1124 127 127 GLU CG C 37.646 0.2 1 1125 127 127 GLU N N 121.214 0.2 1 1126 128 128 TYR H H 8.510 0.01 1 1127 128 128 TYR HB2 H 2.106 0.01 2 1128 128 128 TYR HB3 H 2.686 0.01 2 1129 128 128 TYR C C 176.364 0.2 1 1130 128 128 TYR CA C 62.399 0.2 1 1131 128 128 TYR CB C 38.688 0.2 1 1132 128 128 TYR N N 117.030 0.2 1 1133 129 129 SER H H 7.840 0.01 1 1134 129 129 SER HB2 H 3.897 0.01 2 1135 129 129 SER HB3 H 3.926 0.01 2 1136 129 129 SER C C 176.217 0.2 1 1137 129 129 SER CA C 61.159 0.2 1 1138 129 129 SER CB C 63.775 0.2 1 1139 129 129 SER N N 110.605 0.2 1 1140 130 130 LYS H H 8.486 0.01 1 1141 130 130 LYS HA H 4.324 0.01 1 1142 130 130 LYS HB2 H 1.861 0.01 2 1143 130 130 LYS HD2 H 1.624 0.01 2 1144 130 130 LYS HE2 H 2.993 0.01 2 1145 130 130 LYS HG2 H 1.462 0.01 2 1146 130 130 LYS C C 177.070 0.2 1 1147 130 130 LYS CA C 57.543 0.2 1 1148 130 130 LYS CB C 33.731 0.2 1 1149 130 130 LYS CD C 28.910 0.2 1 1150 130 130 LYS CE C 42.295 0.2 1 1151 130 130 LYS CG C 25.489 0.2 1 1152 130 130 LYS N N 119.371 0.2 1 1153 131 131 ASP H H 8.568 0.01 1 1154 131 131 ASP HA H 4.792 0.01 1 1155 131 131 ASP HB2 H 2.388 0.01 2 1156 131 131 ASP HB3 H 3.045 0.01 2 1157 131 131 ASP C C 174.399 0.2 1 1158 131 131 ASP CA C 52.682 0.2 1 1159 131 131 ASP CB C 40.680 0.2 1 1160 131 131 ASP N N 122.010 0.2 1 1161 132 132 ARG H H 8.499 0.01 1 1162 132 132 ARG HA H 3.888 0.01 1 1163 132 132 ARG HB2 H 1.723 0.01 2 1164 132 132 ARG HG2 H 1.380 0.01 2 1165 132 132 ARG C C 178.993 0.2 1 1166 132 132 ARG CA C 58.695 0.2 1 1167 132 132 ARG CB C 29.479 0.2 1 1168 132 132 ARG CD C 41.919 0.2 1 1169 132 132 ARG CG C 26.411 0.2 1 1170 132 132 ARG N N 124.519 0.2 1 1171 133 133 LYS H H 8.440 0.01 1 1172 133 133 LYS HA H 4.124 0.01 1 1173 133 133 LYS HB2 H 1.847 0.01 2 1174 133 133 LYS HG2 H 1.477 0.01 2 1175 133 133 LYS C C 179.141 0.2 1 1176 133 133 LYS CA C 59.848 0.2 1 1177 133 133 LYS CB C 31.891 0.2 1 1178 133 133 LYS CD C 29.108 0.2 1 1179 133 133 LYS CE C 42.105 0.2 1 1180 133 133 LYS CG C 25.268 0.2 1 1181 133 133 LYS N N 118.503 0.2 1 1182 134 134 LYS H H 7.564 0.01 1 1183 134 134 LYS HA H 3.978 0.01 1 1184 134 134 LYS HB2 H 1.804 0.01 2 1185 134 134 LYS HG2 H 1.398 0.01 2 1186 134 134 LYS C C 178.118 0.2 1 1187 134 134 LYS CA C 59.412 0.2 1 1188 134 134 LYS CB C 32.907 0.2 1 1189 134 134 LYS CD C 29.576 0.2 1 1190 134 134 LYS CG C 24.828 0.2 1 1191 134 134 LYS N N 123.558 0.2 1 1192 135 135 PHE H H 8.516 0.01 1 1193 135 135 PHE HA H 4.522 0.01 1 1194 135 135 PHE HB2 H 3.110 0.01 2 1195 135 135 PHE HB3 H 3.353 0.01 2 1196 135 135 PHE C C 177.081 0.2 1 1197 135 135 PHE CA C 61.775 0.2 1 1198 135 135 PHE CB C 39.635 0.2 1 1199 135 135 PHE N N 118.844 0.2 1 1200 136 136 SER H H 8.878 0.01 1 1201 136 136 SER HA H 4.053 0.01 1 1202 136 136 SER HB2 H 3.857 0.01 2 1203 136 136 SER C C 175.758 0.2 1 1204 136 136 SER CA C 63.037 0.2 1 1205 136 136 SER CB C 71.364 0.2 1 1206 136 136 SER N N 114.315 0.2 1 1207 137 137 LYS H H 7.697 0.01 1 1208 137 137 LYS HA H 4.119 0.01 1 1209 137 137 LYS HB2 H 1.913 0.01 2 1210 137 137 LYS HD2 H 1.666 0.01 2 1211 137 137 LYS HG2 H 1.457 0.01 2 1212 137 137 LYS C C 178.856 0.2 1 1213 137 137 LYS CA C 59.204 0.2 1 1214 137 137 LYS CB C 32.046 0.2 1 1215 137 137 LYS CD C 29.093 0.2 1 1216 137 137 LYS CG C 24.472 0.2 1 1217 137 137 LYS N N 122.583 0.2 1 1218 138 138 ASN H H 8.130 0.01 1 1219 138 138 ASN HB2 H 1.863 0.01 2 1220 138 138 ASN HB3 H 2.552 0.01 2 1221 138 138 ASN C C 178.278 0.2 1 1222 138 138 ASN CA C 55.471 0.2 1 1223 138 138 ASN CB C 37.856 0.2 1 1224 138 138 ASN N N 118.886 0.2 1 1225 139 139 ALA H H 8.957 0.01 1 1226 139 139 ALA HB H 1.102 0.01 1 1227 139 139 ALA C C 180.869 0.2 1 1228 139 139 ALA CA C 55.310 0.2 1 1229 139 139 ALA CB C 18.518 0.2 1 1230 139 139 ALA N N 124.017 0.2 1 1231 140 140 GLU H H 8.753 0.01 1 1232 140 140 GLU HA H 4.219 0.01 1 1233 140 140 GLU HG2 H 2.193 0.01 2 1234 140 140 GLU HG3 H 2.486 0.01 2 1235 140 140 GLU C C 179.301 0.2 1 1236 140 140 GLU CA C 60.298 0.2 1 1237 140 140 GLU CB C 29.752 0.2 1 1238 140 140 GLU CG C 37.020 0.2 1 1239 140 140 GLU N N 123.196 0.2 1 1240 141 141 GLU H H 8.106 0.01 1 1241 141 141 GLU HA H 4.029 0.01 1 1242 141 141 GLU HB2 H 2.105 0.01 2 1243 141 141 GLU HG2 H 2.372 0.01 2 1244 141 141 GLU C C 178.965 0.2 1 1245 141 141 GLU CA C 59.548 0.2 1 1246 141 141 GLU CB C 29.172 0.2 1 1247 141 141 GLU CG C 36.237 0.2 1 1248 141 141 GLU N N 119.994 0.2 1 1249 142 142 PHE H H 8.389 0.01 1 1250 142 142 PHE HB2 H 3.181 0.01 2 1251 142 142 PHE HB3 H 3.429 0.01 2 1252 142 142 PHE C C 179.771 0.2 1 1253 142 142 PHE CA C 62.130 0.2 1 1254 142 142 PHE CB C 39.432 0.2 1 1255 142 142 PHE N N 121.817 0.2 1 1256 143 143 THR H H 8.796 0.01 1 1257 143 143 THR HA H 4.700 0.01 1 1258 143 143 THR HG2 H 1.338 0.01 1 1259 143 143 THR C C 176.630 0.2 1 1260 143 143 THR CA C 67.418 0.2 1 1261 143 143 THR CB C 68.740 0.2 1 1262 143 143 THR CG2 C 22.567 0.2 1 1263 143 143 THR N N 120.315 0.2 1 1264 144 144 LYS H H 8.095 0.01 1 1265 144 144 LYS HA H 3.932 0.01 1 1266 144 144 LYS HD2 H 1.625 0.01 2 1267 144 144 LYS HG2 H 1.401 0.01 2 1268 144 144 LYS C C 178.340 0.2 1 1269 144 144 LYS CA C 59.810 0.2 1 1270 144 144 LYS CB C 32.382 0.2 1 1271 144 144 LYS CD C 29.512 0.2 1 1272 144 144 LYS CG C 25.405 0.2 1 1273 144 144 LYS N N 121.684 0.2 1 1274 145 145 LYS H H 7.788 0.01 1 1275 145 145 LYS HA H 3.847 0.01 1 1276 145 145 LYS HD2 H 1.352 0.01 2 1277 145 145 LYS HG2 H 0.476 0.01 2 1278 145 145 LYS HG3 H 0.962 0.01 2 1279 145 145 LYS C C 177.943 0.2 1 1280 145 145 LYS CA C 59.111 0.2 1 1281 145 145 LYS CB C 33.441 0.2 1 1282 145 145 LYS CD C 29.294 0.2 1 1283 145 145 LYS CE C 41.973 0.2 1 1284 145 145 LYS CG C 24.926 0.2 1 1285 145 145 LYS N N 117.193 0.2 1 1286 146 146 TYR H H 7.920 0.01 1 1287 146 146 TYR HB2 H 2.226 0.01 2 1288 146 146 TYR HB3 H 3.319 0.01 2 1289 146 146 TYR C C 176.227 0.2 1 1290 146 146 TYR CA C 57.927 0.2 1 1291 146 146 TYR CB C 40.630 0.2 1 1292 146 146 TYR N N 112.818 0.2 1 1293 147 147 GLY H H 8.209 0.01 1 1294 147 147 GLY HA2 H 3.993 0.01 2 1295 147 147 GLY HA3 H 3.674 0.01 2 1296 147 147 GLY C C 174.139 0.2 1 1297 147 147 GLY CA C 45.127 0.2 1 1298 147 147 GLY N N 108.254 0.2 1 1299 148 148 GLU H H 8.151 0.01 1 1300 148 148 GLU HA H 4.466 0.01 1 1301 148 148 GLU HB2 H 1.360 0.01 2 1302 148 148 GLU HG2 H 2.195 0.01 2 1303 148 148 GLU HG3 H 2.475 0.01 2 1304 148 148 GLU C C 176.915 0.2 1 1305 148 148 GLU CA C 54.900 0.2 1 1306 148 148 GLU CB C 29.441 0.2 1 1307 148 148 GLU CG C 35.450 0.2 1 1308 148 148 GLU N N 117.566 0.2 1 1309 149 149 LYS H H 8.307 0.01 1 1310 149 149 LYS HA H 4.137 0.01 1 1311 149 149 LYS HD2 H 1.693 0.01 2 1312 149 149 LYS HG2 H 1.468 0.01 2 1313 149 149 LYS C C 176.866 0.2 1 1314 149 149 LYS CA C 56.291 0.2 1 1315 149 149 LYS CB C 32.329 0.2 1 1316 149 149 LYS CD C 28.850 0.2 1 1317 149 149 LYS CE C 42.219 0.2 1 1318 149 149 LYS CG C 24.835 0.2 1 1319 149 149 LYS N N 120.430 0.2 1 1320 150 150 ARG H H 8.485 0.01 1 1321 150 150 ARG CA C 53.992 0.2 1 1322 150 150 ARG CB C 30.290 0.2 1 1323 150 150 ARG N N 123.961 0.2 1 1324 151 151 PRO HA H 4.440 0.01 1 1325 151 151 PRO HB2 H 2.303 0.01 2 1326 151 151 PRO HG2 H 1.896 0.01 2 1327 151 151 PRO C C 176.280 0.2 1 1328 151 151 PRO CA C 62.845 0.2 1 1329 151 151 PRO CB C 32.029 0.2 1 1330 151 151 PRO CD C 50.335 0.2 1 1331 151 151 PRO CG C 27.568 0.2 1 1332 152 152 VAL H H 8.243 0.01 1 1333 152 152 VAL HA H 4.164 0.01 1 1334 152 152 VAL HB H 2.165 0.01 1 1335 152 152 VAL HG1 H 0.890 0.01 2 1336 152 152 VAL HG2 H 0.935 0.01 2 1337 152 152 VAL C C 175.089 0.2 1 1338 152 152 VAL CA C 62.027 0.2 1 1339 152 152 VAL CB C 32.692 0.2 1 1340 152 152 VAL CG1 C 19.731 0.2 2 1341 152 152 VAL CG2 C 21.275 0.2 2 1342 152 152 VAL N N 119.018 0.2 1 1343 153 153 ASP H H 7.966 0.01 1 1344 153 153 ASP CA C 55.530 0.2 1 1345 153 153 ASP CB C 42.308 0.2 1 1346 153 153 ASP N N 128.620 0.2 1 stop_ save_